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Data name Database name DOI Description of data contents Data file Simple search URL Data acquisition method Data analysis method Number of data entries Data detail
Links to J-GLOBAL NBDC Nikkaji RDF 10.18908/lsdba.nbdc01530-02-004.V011

This RDF data includes information of links to other databases, such as J-GLOBAL which contains information of chemical substances, genes, researchers, literature, patents, and other scientific and technologies information (http://jglobal.jst.go.jp/).

NBDC_NikkajiRDF_link2JGLOBAL.ttl.gz
(1.8 MB)
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This RDF data was constructed from the data collected by J-GLOBAL knowledge (https://stirdf.jglobal.jst.go.jp/ :closed in 2018).

219,663 triples
Data detail open_in_full
Links to Other DBs (based on PubChem) NBDC Nikkaji RDF 10.18908/lsdba.nbdc01530-02-007.V011

This RDF data includes information of links between Nikkaji substances and PubChem substances, compounds and GlyTouCan (https://glytoucan.org/) by using skos:exactMatch and skos:closeMatch. This is a result of BioHackathon 2015 (http://2015.biohackathon.org/hackathon).

NBDC_NikkajiRDF_link2OtherDBs_basedOnPubChem.tar.gz
(49 MB)
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The data was created from the mapping data between Nikkaji substances, and PubChem substances, and compounds which were acquired using UniChem FTP service (https://pubchem.ncbi.nlm.nih.gov/upload/).

34,671,881 triples
Data detail open_in_full
Links to Other DBs (based on UniChem) NBDC Nikkaji RDF 10.18908/lsdba.nbdc01530-02-006.V011

This RDF data includes information of links between Nikkaji substances and chemical substances registered in other databases* by using skos:closeMatch. This is based on a work at https://www.ebi.ac.uk/unichem/ .
*: ChEMBL, DrugBank, PDB, Guide to Pharmacology, KEGG, ChEBI, ZINC, Gene Expression Atlas, PharmGKB, Human Metabolome Database (HMDB), PubChem, NMRShiftDB, Aggregated Computational Toxicology Resource (ACToR), BindingDB, and KNApSAcK.

NBDC_NikkajiRDF_link2OtherDBs_basedOnUniChem.tar.gz
(69 MB)
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The data was created from the mapping data between Nikkaji substances, and chemical substances in other databases which were acquired using UniChem FTP service (ftp://ftp.ebi.ac.uk/pub/databases/chembl/UniChem/). The mapping data between Nikkaji and KNApSAcK substances was created using the InChIKey provided by KNApSAcK (http://kanaya.naist.jp/KNApSAcK/).

18,910,927 triples
Data detail open_in_full
MOL/SDF NBDC Nikkaji RDF 10.18908/lsdba.nbdc01530-02-009.V011

This RDF data contains the URL-encoded content of MOL/SDF files of chemical substances registered in Nikkaji  by using CHEMINF, SIO and other ontologies. We recommend using this RDF together with the Core RDF.

NBDC_NikkajiRDF_SDF.tar.gz
(957MB)
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MOL/SDF informations were obtained from J-GLOBAL Chemical Substance Database. Only available for substances with 'Substance Type: Decided Structure'.

3,493,208 compounds
Data detail open_in_full
Molecular Formula and Molecular Weight NBDC Nikkaji RDF 10.18908/lsdba.nbdc01530-02-005.V011

This RDF data contains molecular formula and molecular weight of chemical substances registered in Nikkaji by using CHEMINF, SIO and other ontologies.

NBDC_NikkajiRDF_MFMW.tar.gz
(507 MB)
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The data was converted from data of molecular formulas and molecular weights in Basic Information (http://dbarchive.biosciencedbc.jp/en/nikkaji/data-1.html).

3,671,776 compounds
Data detail open_in_full
Data name Database name DOI Description of data contents Data file Simple search URL Data acquisition method Data analysis method Number of data entries Data detail